| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:07:00 UTC |
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| Update Date | 2025-03-21 18:29:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00079024 |
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| Frequency | 75.8 |
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| Structure | |
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| Chemical Formula | C6H6N4O2 |
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| Molecular Mass | 166.0491 |
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| SMILES | COc1nc(=O)c2[nH]cnc2[nH]1 |
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| InChI Key | QMZOHQZACFFXMA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | imidazopyrimidines |
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| Subclass | purines and purine derivatives |
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| Direct Parent | purines and purine derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonesvinylogous amides |
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| Substituents | vinylogous amideetherazacycleheteroaromatic compoundpyrimidonealkyl aryl etherpyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepurineorganic nitrogen compoundorganooxygen compoundazole |
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